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Mimusopic acid
SpectraBase Compound ID 2T1dhNcJLwl
InChI InChI=1S/C30H46O5/c1-25(2)9-13-30(24(34)35)14-12-27(4)19(21(30)16-25)8-7-18-20-15-22(32)23(33)29(6,17-31)28(20,5)11-10-26(18,27)3/h8,21-23,31-33H,7,9-17H2,1-6H3,(H,34,35)/t21?,22?,23?,26?,27-,28?,29?,30?/m1/s1
InChIKey LCZNLGJYHVTTAT-AOGODTFFSA-N
Mol Weight 486.7 g/mol
Molecular Formula C30H46O5
Exact Mass 486.334525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BTuD7C315oX
Name Mimusopic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H46O5
InChI InChI=1S/C30H46O5/c1-25(2)9-13-30(24(34)35)14-12-27(4)19(21(30)16-25)8-7-18-20-15-22(32)23(33)29(6,17-31)28(20,5)11-10-26(18,27)3/h8,21-23,31-33H,7,9-17H2,1-6H3,(H,34,35)/t21?,22?,23?,26?,27-,28?,29?,30?/m1/s1
InChIKey LCZNLGJYHVTTAT-AOGODTFFSA-N
Molecular Weight 486.693 g/mol
SMILES OCC1(C(C(CC=2C1(CCC1(C2CC=C2C3C(CC[C@@]12C)(CCC(C3)(C)C)C(=O)O)C)C)O)O)C
SPLASH splash10-0f79-0271900000-c4d151be0da496d4022a
Source of Spectrum F-49-9036-3
Synonyms (6aR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,8a,9-hexamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,13,14b-hexadecahydro-4a(2H)-picenecarboxylic acid
Wiley ID 788509